Dataset

Aminocarb; ESI-QTOF; MS2; CE: 20; [M+H]+

This MassBank record with Accession MSBNK-AGILENT-AG000051 contains the MS2 mass spectrum of Aminocarb with the InChIkey IMIDOCRTMDIQIJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)
SMILES CC1=CC(=CC=C1N(C)C)OC(=O)NC
InChI Key IMIDOCRTMDIQIJ-UHFFFAOYSA-N
Molecular Formula C11H16N2O2
Exact Mass 208.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000051
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MetadataPublished 2023-02-17
Related Molecule
  • [4-(dimethylamino)-3-methylphenyl] N-methylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID7022172 EPA CompTox Dashboard
    HMDB0248310 Human Metabolome Database
    J55.517G Nikkaji
    C11071 KEGG Ligand
    CHEMBL1079605 ChEMBL
    2653 ChEBI
    28337 Brenda
    ZINC000000900761 ZINC
    16247 PubChem
    767M03K32Y FDA SRS
    16936960 PubChem: Thomson Pharma
    SCHEMBL119059 SureChEMBL
    2032-59-9 ACToR
    509520 eMolecules
    The data in this table is sourced from UniChem at EBI.